6-({[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-(4-methylphenyl)-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Chemical Structure Depiction of
6-({[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-(4-methylphenyl)-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
6-({[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-(4-methylphenyl)-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one
Compound characteristics
| Compound ID: | L541-0777 |
| Compound Name: | 6-({[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-7-(4-methylphenyl)-2H-[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one |
| Molecular Weight: | 498.56 |
| Molecular Formula: | C27 H22 N4 O4 S |
| Smiles: | CCc1ccc(cc1)c1nc(CSC2=Nc3cc4c(cc3C(N2c2ccc(C)cc2)=O)OCO4)on1 |
| Stereo: | ACHIRAL |
| logP: | 6.6446 |
| logD: | 6.6443 |
| logSw: | -5.5834 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.618 |
| InChI Key: | KMLBHYCQVSYATJ-UHFFFAOYSA-N |